Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1577 | 1aps RC | 329 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Raw file had 221 H/Q atoms
Start of MODEL 1
1 1H SER 1 H1 SER 1 13.470 8.610 -13.210
2 2H SER 1 H2 SER 1 14.870 8.780 -14.010
3 3H SER 1 H3 SER 1 13.560 9.680 -14.440
4 HG SER 1 HG SER 1 15.840 7.720 -15.790
5 H THR 2 H THR 2 12.950 5.600 -16.270
6 HG1 THR 2 HG1 THR 2 13.430 3.230 -18.390
7 H ALA 3 H ALA 3 15.720 4.710 -16.100
8 NH1 ARG 4 NH2 ARG 4 18.010 8.020 -15.060
9 NH2 ARG 4 NH1 ARG 4 16.650 9.720 -14.340
10 H ARG 4 H ARG 4 16.080 4.870 -13.180
11 HE ARG 4 HE ARG 4 17.300 8.980 -12.070
12 1HH1 ARG 4 HH2 ARG 4 18.680 7.310 -14.850
13 2HH1 ARG 4 HH2 ARG 4 17.850 8.290 -16.010
14 1HH2 ARG 4 HH1 ARG 4 16.340 10.320 -13.610
15 2HH2 ARG 4 HH1 ARG 4 16.490 9.970 -15.300
16 H LEU 6 H LEU 6 14.150 3.350 -9.180
17 H LYS 7 H LYS 7 11.210 2.490 -6.340
18 1HZ LYS 7 HZ1 LYS 7 9.210 -3.800 -9.870
19 2HZ LYS 7 HZ2 LYS 7 7.640 -3.620 -9.490
20 3HZ LYS 7 HZ3 LYS 7 8.100 -3.780 -11.060
21 H SER 8 H SER 8 8.280 4.040 -8.860
22 HG SER 8 HG SER 8 6.550 5.130 -9.990
23 H VAL 9 H VAL 9 5.350 2.750 -6.150
24 H ASP 10 H ASP 10 1.610 1.060 -7.810
25 OH TYR 11 OH TYR 11 -1.850 3.810 0.970
26 H TYR 11 H TYR 11 -1.100 1.740 -4.330
27 HH TYR 11 HH TYR 11 -1.280 4.590 0.690
28 H GLU 12 H GLU 12 -3.670 -1.910 -3.820
29 H VAL 13 H VAL 13 -6.060 -0.560 -0.910
30 H PHE 14 H PHE 14 -8.370 -4.260 -0.260
31 H GLY 15 H GLY 15 -10.760 -1.700 0.820
32 NH1 ARG 16 NH2 ARG 16 -12.170 -7.900 0.400
33 NH2 ARG 16 NH1 ARG 16 -13.140 -9.100 -1.270
34 H ARG 16 H ARG 16 -13.820 -3.850 1.500
35 HE ARG 16 HE ARG 16 -14.840 -7.280 -1.280
36 1HH1 ARG 16 HH2 ARG 16 -12.080 -7.030 0.890
37 2HH1 ARG 16 HH2 ARG 16 -11.450 -8.590 0.470
38 1HH2 ARG 16 HH1 ARG 16 -13.820 -9.210 -2.000
39 2HH2 ARG 16 HH1 ARG 16 -12.380 -9.760 -1.190
40 H VAL 17 H VAL 17 -16.460 -2.570 3.320
41 H GLN 18 H GLN 18 -15.450 0.520 3.130
42 1HE2 GLN 18 HE2 GLN 18 -15.600 7.070 4.790
43 2HE2 GLN 18 HE2 GLN 18 -16.020 6.050 3.430
44 H GLY 19 H GLY 19 -14.480 1.940 7.460
45 H VAL 20 H VAL 20 -11.950 -0.160 6.620
46 H CYS 21 H CYS 21 -8.720 -0.140 9.450
47 HG CYS 21 HG CYS 21 -10.370 1.330 10.880
48 H PHE 22 H PHE 22 -6.660 2.020 7.610
49 NH1 ARG 23 NH1 ARG 23 -5.380 10.220 8.320
50 NH2 ARG 23 NH2 ARG 23 -3.630 10.570 9.760
51 H ARG 23 H ARG 23 -5.130 3.970 8.380
52 HE ARG 23 HE ARG 23 -2.660 8.530 8.730
53 1HH1 ARG 23 HH1 ARG 23 -5.910 9.600 7.740
54 2HH1 ARG 23 HH1 ARG 23 -5.770 11.090 8.610
55 1HH2 ARG 23 HH2 ARG 23 -2.810 10.250 10.240
56 2HH2 ARG 23 HH2 ARG 23 -4.070 11.430 10.030
57 H MET 24 H MET 24 -1.520 6.270 10.020
58 OH TYR 25 OH TYR 25 0.820 -4.640 9.150
59 H TYR 25 H TYR 25 -1.130 2.800 11.330
60 HH TYR 25 HH TYR 25 0.580 -4.850 8.200
61 H ALA 26 H ALA 26 -0.300 2.240 8.500
62 H GLU 27 H GLU 27 1.250 4.980 7.890
63 H ASP 28 H ASP 28 3.370 4.680 10.340
64 H GLU 29 H GLU 29 4.610 2.180 9.960
65 H ALA 30 H ALA 30 5.370 2.400 7.430
66 NH1 ARG 31 NH1 ARG 31 9.830 8.420 13.280
67 NH2 ARG 31 NH2 ARG 31 12.040 7.800 13.330
68 H ARG 31 H ARG 31 7.220 4.560 7.440
69 HE ARG 31 HE ARG 31 11.720 7.280 10.910
70 1HH1 ARG 31 HH1 ARG 31 8.950 8.450 12.810
71 2HH1 ARG 31 HH1 ARG 31 9.920 8.740 14.220
72 1HH2 ARG 31 HH2 ARG 31 12.810 7.300 12.950
73 2HH2 ARG 31 HH2 ARG 31 12.080 8.150 14.270
74 H LYS 32 H LYS 32 9.240 3.040 9.080
75 1HZ LYS 32 HZ3 LYS 32 9.010 4.330 12.130
76 2HZ LYS 32 HZ1 LYS 32 9.370 5.220 13.450
77 3HZ LYS 32 HZ2 LYS 32 10.330 5.300 12.150
78 H ILE 33 H ILE 33 9.790 0.920 7.160
79 H GLY 34 H GLY 34 11.280 2.710 5.600
80 H VAL 35 H VAL 35 10.060 3.700 3.850
81 H VAL 36 H VAL 36 8.590 5.690 0.180
82 H GLY 37 H GLY 37 5.610 8.880 0.930
83 CH2 TRP 38 CH2 TRP 38 -2.910 10.370 -4.060
84 H TRP 38 H TRP 38 1.900 7.260 -0.470
85 HE1 TRP 38 HE1 TRP 38 1.200 11.150 -3.970
86 H VAL 39 H VAL 39 -1.490 8.560 1.970
87 H LYS 40 H LYS 40 -4.530 6.310 -0.260
88 1HZ LYS 40 HZ3 LYS 40 -8.190 10.470 -4.300
89 2HZ LYS 40 HZ1 LYS 40 -7.250 10.600 -5.620
90 3HZ LYS 40 HZ2 LYS 40 -8.860 10.450 -5.800
91 H ASN 41 H ASN 41 -7.710 8.940 0.650
92 1HD2 ASN 41 HD2 ASN 41 -10.480 11.470 2.690
93 2HD2 ASN 41 HD2 ASN 41 -11.320 9.980 3.070
94 H THR 42 H THR 42 -10.790 5.920 0.090
95 HG1 THR 42 HG1 THR 42 -12.180 3.830 -1.690
96 H SER 43 H SER 43 -14.630 7.200 -1.860
97 HG SER 43 HG SER 43 -17.350 6.300 -3.240
98 H LYS 44 H LYS 44 -15.530 4.580 -1.350
99 1HZ LYS 44 HZ1 LYS 44 -21.500 1.300 -3.170
100 2HZ LYS 44 HZ2 LYS 44 -22.360 2.660 -3.400
101 3HZ LYS 44 HZ3 LYS 44 -20.980 2.400 -4.260
102 H GLY 45 H GLY 45 -14.140 3.840 1.290
103 H THR 46 H THR 46 -12.730 1.790 -0.680
104 HG1 THR 46 HG1 THR 46 -12.160 2.540 -3.810
105 H VAL 47 H VAL 47 -9.040 1.070 0.660
106 H THR 48 H THR 48 -6.970 4.020 -1.260
107 HG1 THR 48 HG1 THR 48 -4.770 2.720 -4.960
108 H GLY 49 H GLY 49 -3.600 4.340 -3.960
109 H GLN 50 H GLN 50 0.000 6.260 -2.210
110 1HE2 GLN 50 HE2 GLN 50 0.080 10.060 -7.340
111 2HE2 GLN 50 HE2 GLN 50 -0.610 8.450 -7.280
112 H VAL 51 H VAL 51 3.000 3.820 -3.990
113 H GLN 52 H GLN 52 6.320 5.520 -2.270
114 1HE2 GLN 52 HE2 GLN 52 11.960 6.420 -5.950
115 2HE2 GLN 52 HE2 GLN 52 11.090 7.930 -5.970
116 H GLY 53 H GLY 53 9.830 3.850 -4.170
117 H GLU 55 H GLU 55 14.820 0.590 -5.280
118 H GLU 56 H GLU 56 15.760 -2.290 -3.330
119 H LYS 57 H LYS 57 14.010 -1.180 -1.150
120 1HZ LYS 57 HZ2 LYS 57 15.450 1.940 3.960
121 2HZ LYS 57 HZ3 LYS 57 15.800 0.400 3.550
122 3HZ LYS 57 HZ1 LYS 57 17.000 1.440 3.900
123 H VAL 58 H VAL 58 11.530 -0.850 -2.010
124 H ASN 59 H ASN 59 11.000 -3.610 -2.650
125 1HD2 ASN 59 HD2 ASN 59 12.740 -7.170 -5.140
126 2HD2 ASN 59 HD2 ASN 59 12.520 -7.970 -3.600
127 H SER 60 H SER 60 10.970 -4.620 0.180
128 HG SER 60 HG SER 60 10.330 -5.570 4.320
129 H MET 61 H MET 61 8.780 -3.050 1.140
130 H LYS 62 H LYS 62 6.660 -4.190 -0.750
131 1HZ LYS 62 HZ3 LYS 62 6.360 -5.000 -7.150
132 2HZ LYS 62 HZ1 LYS 62 4.780 -5.400 -7.180
133 3HZ LYS 62 HZ2 LYS 62 5.250 -3.930 -7.720
134 H SER 63 H SER 63 6.800 -6.900 0.390
135 HG SER 63 HG SER 63 8.320 -8.410 0.450
136 CH2 TRP 64 CH2 TRP 64 3.550 -0.090 6.300
137 H TRP 64 H TRP 64 5.850 -6.220 2.950
138 HE1 TRP 64 HE1 TRP 64 2.340 -3.610 8.230
139 H LEU 65 H LEU 65 2.170 -4.750 4.960
140 H SER 66 H SER 66 1.020 -6.760 2.370
141 HG SER 66 HG SER 66 2.140 -8.940 1.380
142 H LYS 67 H LYS 67 1.760 -8.660 4.140
143 1HZ LYS 67 HZ3 LYS 67 5.410 -7.650 9.060
144 2HZ LYS 67 HZ1 LYS 67 4.660 -6.390 9.760
145 3HZ LYS 67 HZ2 LYS 67 5.580 -7.380 10.670
146 H VAL 68 H VAL 68 -0.890 -9.190 7.340
147 H GLY 69 H GLY 69 -0.540 -5.900 9.560
148 H SER 70 H SER 70 -2.270 -5.110 13.690
149 HG SER 70 HG SER 70 -6.650 -3.890 12.820
150 H SER 72 H SER 72 -6.430 -2.130 14.320
151 HG SER 72 HG SER 72 -8.300 0.830 16.030
152 H SER 73 H SER 73 -8.490 -1.720 12.400
153 HG SER 73 HG SER 73 -10.310 -0.950 10.150
154 NH1 ARG 74 NH2 ARG 74 -11.570 -6.480 11.960
155 NH2 ARG 74 NH1 ARG 74 -12.930 -4.810 11.170
156 H ARG 74 H ARG 74 -10.040 -5.510 10.500
157 HE ARG 74 HE ARG 74 -12.520 -5.840 8.940
158 1HH1 ARG 74 HH2 ARG 74 -11.090 -7.340 11.820
159 2HH1 ARG 74 HH2 ARG 74 -11.660 -6.100 12.880
160 1HH2 ARG 74 HH1 ARG 74 -13.440 -4.360 10.440
161 2HH2 ARG 74 HH1 ARG 74 -13.000 -4.470 12.110
162 H ILE 75 H ILE 75 -6.170 -5.350 8.180
163 H ASP 76 H ASP 76 -8.820 -4.840 5.140
164 NH1 ARG 77 NH1 ARG 77 -4.900 -10.570 1.070
165 NH2 ARG 77 NH2 ARG 77 -3.210 -9.140 0.480
166 H ARG 77 H ARG 77 -6.890 -7.590 3.020
167 HE ARG 77 HE ARG 77 -4.500 -8.840 -1.630
168 1HH1 ARG 77 HH1 ARG 77 -5.800 -10.970 0.900
169 2HH1 ARG 77 HH1 ARG 77 -4.380 -10.820 1.890
170 1HH2 ARG 77 HH2 ARG 77 -2.760 -8.540 -0.180
171 2HH2 ARG 77 HH2 ARG 77 -2.760 -9.380 1.340
172 H THR 78 H THR 78 -4.500 -7.310 0.430
173 HG1 THR 78 HG1 THR 78 -3.130 -4.690 2.330
174 H ASN 79 H ASN 79 -4.600 -4.770 -2.890
175 1HD2 ASN 79 HD2 ASN 79 -3.880 -7.620 -7.980
176 2HD2 ASN 79 HD2 ASN 79 -4.440 -8.130 -6.400
177 H PHE 80 H PHE 80 -1.250 -6.080 -5.600
178 H SER 81 H SER 81 -0.980 -2.390 -7.360
179 HG SER 81 HG SER 81 -3.610 -2.960 -8.790
180 H ASN 82 H ASN 82 -0.200 -2.010 -11.630
181 1HD2 ASN 82 HD2 ASN 82 -3.450 0.550 -12.000
182 2HD2 ASN 82 HD2 ASN 82 -2.530 0.140 -10.570
183 H GLU 83 H GLU 83 2.760 -0.920 -12.370
184 H LYS 84 H LYS 84 5.520 1.790 -10.850
185 1HZ LYS 84 HZ3 LYS 84 2.190 3.920 -11.390
186 2HZ LYS 84 HZ1 LYS 84 1.080 5.090 -11.190
187 3HZ LYS 84 HZ2 LYS 84 1.340 4.480 -12.680
188 H THR 85 H THR 85 8.960 1.690 -13.000
189 HG1 THR 85 HG1 THR 85 11.160 2.200 -14.350
190 H ILE 86 H ILE 86 10.940 4.850 -10.490
191 H SER 87 H SER 87 11.780 8.960 -10.660
192 HG SER 87 HG SER 87 16.240 8.720 -10.390
193 H LYS 88 H LYS 88 14.960 9.150 -7.730
194 1HZ LYS 88 HZ2 LYS 88 18.280 12.410 -9.510
195 2HZ LYS 88 HZ3 LYS 88 17.060 11.520 -10.150
196 3HZ LYS 88 HZ1 LYS 88 17.270 13.070 -10.610
197 H LEU 89 H LEU 89 13.440 10.880 -3.980
198 H GLU 90 H GLU 90 9.400 11.090 -4.770
199 OH TYR 91 OH TYR 91 2.170 12.540 -4.970
200 H TYR 91 H TYR 91 8.970 12.600 -1.780
201 HH TYR 91 HH TYR 91 2.300 11.770 -5.600
202 H SER 92 H SER 92 6.550 14.530 1.160
203 HG SER 92 HG SER 92 5.310 14.880 3.480
204 H ASN 93 H ASN 93 8.740 11.650 2.850
205 1HD2 ASN 93 HD2 ASN 93 10.310 8.900 7.040
206 2HD2 ASN 93 HD2 ASN 93 8.630 8.390 7.040
207 H PHE 94 H PHE 94 6.830 7.790 4.150
208 H SER 95 H SER 95 2.760 9.190 3.310
209 HG SER 95 HG SER 95 1.480 11.860 2.480
210 H VAL 96 H VAL 96 -0.110 11.320 4.580
211 NH1 ARG 97 NH1 ARG 97 -10.050 10.160 8.180
212 NH2 ARG 97 NH2 ARG 97 -9.730 12.310 8.900
213 H ARG 97 H ARG 97 -4.260 10.550 5.760
214 HE ARG 97 HE ARG 97 -8.530 12.620 6.720
215 1HH1 ARG 97 HH1 ARG 97 -9.880 9.430 7.510
216 2HH1 ARG 97 HH1 ARG 97 -10.600 9.980 8.990
217 1HH2 ARG 97 HH2 ARG 97 -9.300 13.210 8.820
218 2HH2 ARG 97 HH2 ARG 97 -10.290 12.090 9.700
219 OH TYR 98 OH TYR 98 1.130 13.220 1.500
220 H TYR 98 H TYR 98 -4.860 10.610 1.350
221 HH TYR 98 HH TYR 98 1.700 13.470 0.710
Raw file had 221 H/Q atoms
Start of MODEL 2
1 1H SER 1 H3 SER 1 5.740 -3.070 -17.460
2 2H SER 1 H1 SER 1 5.340 -3.910 -16.130
3 3H SER 1 H2 SER 1 4.170 -3.310 -17.070
4 HG SER 1 HG SER 1 4.490 -0.270 -14.090
5 H THR 2 H THR 2 7.010 -0.970 -17.130
6 HG1 THR 2 HG1 THR 2 7.850 0.130 -13.760
7 H ALA 3 H ALA 3 8.400 -2.500 -14.080
8 NH1 ARG 4 NH2 ARG 4 15.210 -5.830 -15.890
9 NH2 ARG 4 NH1 ARG 4 17.390 -5.140 -15.800
10 H ARG 4 H ARG 4 11.860 -2.560 -14.470
11 HE ARG 4 HE ARG 4 16.440 -2.840 -16.010
12 1HH1 ARG 4 HH2 ARG 4 14.240 -5.620 -15.980
13 2HH1 ARG 4 HH2 ARG 4 15.520 -6.780 -15.810
14 1HH2 ARG 4 HH1 ARG 4 18.100 -4.430 -15.820
15 2HH2 ARG 4 HH1 ARG 4 17.660 -6.110 -15.710
16 H LEU 6 H LEU 6 13.010 -1.130 -9.690
17 H LYS 7 H LYS 7 11.480 -0.660 -7.860
18 1HZ LYS 7 HZ1 LYS 7 9.200 -5.850 -10.780
19 2HZ LYS 7 HZ2 LYS 7 9.000 -6.390 -9.260
20 3HZ LYS 7 HZ3 LYS 7 7.700 -6.100 -10.220
21 H SER 8 H SER 8 9.080 2.370 -8.810
22 HG SER 8 HG SER 8 7.090 5.100 -5.900
23 H VAL 9 H VAL 9 5.850 1.730 -5.660
24 H ASP 10 H ASP 10 1.870 1.210 -7.430
25 OH TYR 11 OH TYR 11 -0.320 3.580 1.570
26 H TYR 11 H TYR 11 -0.380 1.950 -3.830
27 HH TYR 11 HH TYR 11 0.480 4.160 1.410
28 H GLU 12 H GLU 12 -3.400 -1.040 -4.620
29 H VAL 13 H VAL 13 -5.750 0.120 -1.240
30 H PHE 14 H PHE 14 -6.740 -4.100 -0.280
31 H GLY 15 H GLY 15 -10.640 -5.200 1.460
32 NH1 ARG 16 NH2 ARG 16 -10.610 -12.440 2.910
33 NH2 ARG 16 NH1 ARG 16 -8.610 -12.930 3.910
34 H ARG 16 H ARG 16 -10.490 -6.840 5.310
35 HE ARG 16 HE ARG 16 -9.290 -11.240 5.600
36 1HH1 ARG 16 HH2 ARG 16 -11.460 -11.930 2.880
37 2HH1 ARG 16 HH2 ARG 16 -10.400 -13.110 2.200
38 1HH2 ARG 16 HH1 ARG 16 -7.940 -12.810 4.640
39 2HH2 ARG 16 HH1 ARG 16 -8.440 -13.590 3.180
40 H VAL 17 H VAL 17 -11.850 -6.100 7.480
41 H GLN 18 H GLN 18 -15.330 -3.340 7.370
42 1HE2 GLN 18 HE2 GLN 18 -14.090 -3.510 2.670
43 2HE2 GLN 18 HE2 GLN 18 -14.710 -4.320 4.080
44 H GLY 19 H GLY 19 -13.080 0.130 5.410
45 H VAL 20 H VAL 20 -10.730 2.140 5.420
46 H CYS 21 H CYS 21 -8.840 3.980 7.830
47 HG CYS 21 HG CYS 21 -7.010 3.660 12.400
48 H PHE 22 H PHE 22 -6.080 2.000 8.710
49 NH1 ARG 23 NH1 ARG 23 -3.080 11.010 10.100
50 NH2 ARG 23 NH2 ARG 23 -5.300 11.550 10.090
51 H ARG 23 H ARG 23 -4.510 4.950 9.450
52 HE ARG 23 HE ARG 23 -5.390 10.200 8.000
53 1HH1 ARG 23 HH1 ARG 23 -2.280 10.600 9.650
54 2HH1 ARG 23 HH1 ARG 23 -2.960 11.540 10.940
55 1HH2 ARG 23 HH2 ARG 23 -6.200 11.570 9.650
56 2HH2 ARG 23 HH2 ARG 23 -5.150 12.080 10.930
57 H MET 24 H MET 24 -2.630 7.240 10.630
58 OH TYR 25 OH TYR 25 0.180 -2.720 10.040
59 H TYR 25 H TYR 25 -1.040 4.820 11.640
60 HH TYR 25 HH TYR 25 -0.070 -3.260 10.840
61 H ALA 26 H ALA 26 0.020 3.490 9.030
62 H GLU 27 H GLU 27 1.410 5.780 8.070
63 H ASP 28 H ASP 28 3.330 6.590 10.040
64 H GLU 29 H GLU 29 4.820 4.170 10.290
65 H ALA 30 H ALA 30 5.800 3.660 7.640
66 NH1 ARG 31 NH1 ARG 31 7.080 12.690 6.590
67 NH2 ARG 31 NH2 ARG 31 5.000 12.330 5.680
68 H ARG 31 H ARG 31 7.420 6.040 7.110
69 HE ARG 31 HE ARG 31 5.200 10.060 6.660
70 1HH1 ARG 31 HH1 ARG 31 7.850 12.390 7.140
71 2HH1 ARG 31 HH1 ARG 31 7.060 13.630 6.220
72 1HH2 ARG 31 HH2 ARG 31 4.200 11.750 5.550
73 2HH2 ARG 31 HH2 ARG 31 5.020 13.260 5.330
74 H LYS 32 H LYS 32 9.490 5.740 9.130
75 1HZ LYS 32 HZ1 LYS 32 7.230 6.750 12.600
76 2HZ LYS 32 HZ2 LYS 32 7.450 8.040 13.570
77 3HZ LYS 32 HZ3 LYS 32 8.390 7.820 12.250
78 H ILE 33 H ILE 33 10.550 3.400 8.100
79 H GLY 34 H GLY 34 12.520 4.290 6.170
80 H VAL 35 H VAL 35 10.590 3.910 4.230
81 H VAL 36 H VAL 36 9.330 5.000 0.310
82 H GLY 37 H GLY 37 6.670 8.610 0.570
83 CH2 TRP 38 CH2 TRP 38 -1.410 8.130 -5.120
84 H TRP 38 H TRP 38 3.090 7.340 -0.710
85 HE1 TRP 38 HE1 TRP 38 2.500 9.610 -5.330
86 H VAL 39 H VAL 39 -0.200 9.150 1.500
87 H LYS 40 H LYS 40 -3.560 7.190 -0.510
88 1HZ LYS 40 HZ1 LYS 40 -6.510 10.100 -6.570
89 2HZ LYS 40 HZ2 LYS 40 -7.600 9.050 -5.990
90 3HZ LYS 40 HZ3 LYS 40 -8.070 10.550 -6.450
91 H ASN 41 H ASN 41 -7.070 9.670 0.300
92 1HD2 ASN 41 HD2 ASN 41 -10.300 11.830 1.500
93 2HD2 ASN 41 HD2 ASN 41 -11.260 10.380 1.380
94 H THR 42 H THR 42 -10.060 6.620 -1.070
95 HG1 THR 42 HG1 THR 42 -11.680 4.510 -1.570
96 H SER 43 H SER 43 -11.230 9.690 -1.780
97 HG SER 43 HG SER 43 -14.890 8.830 -2.480
98 H LYS 44 H LYS 44 -13.720 7.310 -0.720
99 1HZ LYS 44 HZ2 LYS 44 -20.500 7.150 0.550
100 2HZ LYS 44 HZ3 LYS 44 -20.810 7.250 2.160
101 3HZ LYS 44 HZ1 LYS 44 -20.740 8.600 1.250
102 H GLY 45 H GLY 45 -13.620 5.800 3.290
103 H THR 46 H THR 46 -12.330 3.430 0.690
104 HG1 THR 46 HG1 THR 46 -11.640 2.310 -2.220
105 H VAL 47 H VAL 47 -7.960 2.060 0.700
106 H THR 48 H THR 48 -6.360 5.090 -1.820
107 HG1 THR 48 HG1 THR 48 -5.790 6.440 -3.720
108 H GLY 49 H GLY 49 -2.610 3.400 -2.260
109 H GLN 50 H GLN 50 1.040 5.830 -1.600
110 1HE2 GLN 50 HE2 GLN 50 3.170 7.920 -7.610
111 2HE2 GLN 50 HE2 GLN 50 1.980 6.820 -6.940
112 H VAL 51 H VAL 51 3.760 3.040 -3.320
113 H GLN 52 H GLN 52 7.340 4.510 -1.930
114 1HE2 GLN 52 HE2 GLN 52 13.450 2.710 -1.660
115 2HE2 GLN 52 HE2 GLN 52 12.410 3.070 -0.310
116 H GLY 53 H GLY 53 10.410 3.610 -5.190
117 H GLU 55 H GLU 55 12.890 -1.460 -3.540
118 H GLU 56 H GLU 56 14.040 -5.170 -3.760
119 H LYS 57 H LYS 57 15.990 -4.170 -0.080
120 1HZ LYS 57 HZ1 LYS 57 15.360 1.370 4.130
121 2HZ LYS 57 HZ2 LYS 57 16.090 1.280 2.670
122 3HZ LYS 57 HZ3 LYS 57 14.530 1.760 2.800
123 H VAL 58 H VAL 58 13.610 -2.480 0.050
124 H ASN 59 H ASN 59 11.690 -4.400 -0.790
125 1HD2 ASN 59 HD2 ASN 59 10.140 -5.770 -4.840
126 2HD2 ASN 59 HD2 ASN 59 9.020 -6.480 -3.720
127 H SER 60 H SER 60 10.950 -5.810 1.630
128 HG SER 60 HG SER 60 11.690 -5.170 3.930
129 H MET 61 H MET 61 9.200 -4.190 2.910
130 H LYS 62 H LYS 62 6.950 -4.490 1.340
131 1HZ LYS 62 HZ2 LYS 62 5.170 -5.670 -4.810
132 2HZ LYS 62 HZ3 LYS 62 6.410 -4.680 -5.170
133 3HZ LYS 62 HZ1 LYS 62 6.650 -6.290 -5.070
134 H SER 63 H SER 63 5.790 -6.980 2.090
135 HG SER 63 HG SER 63 6.980 -9.740 2.970
136 CH2 TRP 64 CH2 TRP 64 4.330 0.540 6.710
137 H TRP 64 H TRP 64 4.850 -6.280 4.810
138 HE1 TRP 64 HE1 TRP 64 1.550 -1.880 8.760
139 H LEU 65 H LEU 65 3.050 -3.980 4.100
140 H SER 66 H SER 66 1.140 -5.880 2.840
141 HG SER 66 HG SER 66 1.560 -7.840 1.750
142 H LYS 67 H LYS 67 0.160 -7.810 4.170
143 1HZ LYS 67 HZ2 LYS 67 1.560 -13.720 4.500
144 2HZ LYS 67 HZ3 LYS 67 0.980 -12.760 3.310
145 3HZ LYS 67 HZ1 LYS 67 2.380 -13.560 3.100
146 H VAL 68 H VAL 68 -0.940 -6.470 6.420
147 H GLY 69 H GLY 69 -4.470 -5.790 8.320
148 H SER 70 H SER 70 -2.790 -3.030 10.570
149 HG SER 70 HG SER 70 -1.280 -4.690 12.510
150 H SER 72 H SER 72 -7.930 -1.870 12.870
151 HG SER 72 HG SER 72 -11.110 0.300 10.990
152 H SER 73 H SER 73 -9.580 -4.400 10.470
153 HG SER 73 HG SER 73 -10.260 -7.520 10.380
154 NH1 ARG 74 NH1 ARG 74 -12.760 -2.190 1.160
155 NH2 ARG 74 NH2 ARG 74 -12.350 -4.400 1.080
156 H ARG 74 H ARG 74 -8.750 -3.090 7.520
157 HE ARG 74 HE ARG 74 -10.980 -3.950 3.210
158 1HH1 ARG 74 HH1 ARG 74 -12.940 -1.390 1.730
159 2HH1 ARG 74 HH1 ARG 74 -13.130 -2.240 0.230
160 1HH2 ARG 74 HH2 ARG 74 -12.420 -5.240 1.610
161 2HH2 ARG 74 HH2 ARG 74 -12.670 -4.400 0.130
162 H ILE 75 H ILE 75 -6.920 -4.070 6.310
163 H ASP 76 H ASP 76 -6.330 -6.150 3.020
164 NH1 ARG 77 NH1 ARG 77 -7.820 -7.750 -5.310
165 NH2 ARG 77 NH2 ARG 77 -6.980 -9.360 -6.710
166 H ARG 77 H ARG 77 -6.570 -7.280 1.370
167 HE ARG 77 HE ARG 77 -6.960 -10.800 -4.670
168 1HH1 ARG 77 HH1 ARG 77 -8.280 -7.500 -4.460
169 2HH1 ARG 77 HH1 ARG 77 -7.810 -7.110 -6.080
170 1HH2 ARG 77 HH2 ARG 77 -6.670 -10.290 -6.900
171 2HH2 ARG 77 HH2 ARG 77 -7.030 -8.690 -7.450
172 H THR 78 H THR 78 -3.280 -6.930 -0.230
173 HG1 THR 78 HG1 THR 78 -3.110 -3.990 1.710
174 H ASN 79 H ASN 79 -4.090 -3.880 -3.310
175 1HD2 ASN 79 HD2 ASN 79 -6.250 -6.720 -4.690
176 2HD2 ASN 79 HD2 ASN 79 -5.420 -5.540 -3.710
177 H PHE 80 H PHE 80 -0.550 -4.960 -4.700
178 H SER 81 H SER 81 -0.240 -1.620 -7.090
179 HG SER 81 HG SER 81 -2.060 -2.420 -11.370
180 H ASN 82 H ASN 82 0.130 -0.640 -11.190
181 1HD2 ASN 82 HD2 ASN 82 2.200 5.160 -10.760
182 2HD2 ASN 82 HD2 ASN 82 2.500 3.750 -9.790
183 H GLU 83 H GLU 83 3.210 -0.120 -12.220
184 H LYS 84 H LYS 84 6.190 2.210 -10.590
185 1HZ LYS 84 HZ1 LYS 84 4.220 6.790 -12.900
186 2HZ LYS 84 HZ2 LYS 84 3.950 5.250 -12.440
187 3HZ LYS 84 HZ3 LYS 84 2.750 6.370 -12.370
188 H THR 85 H THR 85 9.490 2.270 -13.200
189 HG1 THR 85 HG1 THR 85 11.840 3.400 -14.470
190 H ILE 86 H ILE 86 11.430 4.050 -9.800
191 H SER 87 H SER 87 13.460 6.410 -11.940
192 HG SER 87 HG SER 87 15.480 6.480 -14.480
193 H LYS 88 H LYS 88 13.910 9.120 -10.630
194 1HZ LYS 88 HZ2 LYS 88 14.900 14.260 -6.590
195 2HZ LYS 88 HZ3 LYS 88 15.200 15.860 -6.490
196 3HZ LYS 88 HZ1 LYS 88 13.830 15.340 -7.190
197 H LEU 89 H LEU 89 15.270 8.980 -6.840
198 H GLU 90 H GLU 90 11.740 10.590 -6.550
199 OH TYR 91 OH TYR 91 7.670 6.830 -5.240
200 H TYR 91 H TYR 91 11.610 11.680 -3.290
201 HH TYR 91 HH TYR 91 6.790 6.950 -5.700
202 H SER 92 H SER 92 10.290 13.150 0.110
203 HG SER 92 HG SER 92 12.010 14.150 2.190
204 H ASN 93 H ASN 93 9.160 10.600 1.630
205 1HD2 ASN 93 HD2 ASN 93 6.300 13.120 -0.310
206 2HD2 ASN 93 HD2 ASN 93 5.760 11.960 0.870
207 H PHE 94 H PHE 94 6.660 9.770 4.700
208 H SER 95 H SER 95 3.470 9.950 2.190
209 HG SER 95 HG SER 95 1.910 14.070 2.330
210 H VAL 96 H VAL 96 0.960 12.970 4.330
211 NH1 ARG 97 NH1 ARG 97 -7.500 9.050 7.480
212 NH2 ARG 97 NH2 ARG 97 -8.840 10.820 6.910
213 H ARG 97 H ARG 97 -3.030 10.850 5.190
214 HE ARG 97 HE ARG 97 -8.370 10.150 4.570
215 1HH1 ARG 97 HH1 ARG 97 -6.920 8.280 7.210
216 2HH1 ARG 97 HH1 ARG 97 -7.650 9.270 8.450
217 1HH2 ARG 97 HH2 ARG 97 -9.260 11.420 6.230
218 2HH2 ARG 97 HH2 ARG 97 -8.980 11.010 7.890
219 OH TYR 98 OH TYR 98 0.820 14.370 0.820
220 H TYR 98 H TYR 98 -4.030 11.510 1.100
221 HH TYR 98 HH TYR 98 0.930 15.370 0.770
Raw file had 221 H/Q atoms
Start of MODEL 3
1 1H SER 1 H3 SER 1 8.890 -4.750 -15.500
2 2H SER 1 H1 SER 1 7.520 -4.480 -14.660
3 3H SER 1 H2 SER 1 7.690 -3.830 -16.140
4 HG SER 1 HG SER 1 10.480 -2.300 -11.960
5 H THR 2 H THR 2 8.940 -0.440 -15.190
6 HG1 THR 2 HG1 THR 2 9.370 1.820 -14.540
7 H ALA 3 H ALA 3 12.120 -1.650 -15.060
8 NH1 ARG 4 NH2 ARG 4 12.180 7.700 -14.030
9 NH2 ARG 4 NH1 ARG 4 10.400 6.330 -14.440
10 H ARG 4 H ARG 4 13.540 1.510 -13.750
11 HE ARG 4 HE ARG 4 12.060 4.490 -14.320
12 1HH1 ARG 4 HH2 ARG 4 13.160 7.840 -13.890
13 2HH1 ARG 4 HH2 ARG 4 11.550 8.480 -14.030
14 1HH2 ARG 4 HH1 ARG 4 10.010 5.410 -14.450
15 2HH2 ARG 4 HH1 ARG 4 9.800 7.130 -14.480
16 H LEU 6 H LEU 6 14.040 3.310 -8.290
17 H LYS 7 H LYS 7 11.380 1.610 -5.410
18 1HZ LYS 7 HZ2 LYS 7 6.680 -3.890 -5.370
19 2HZ LYS 7 HZ3 LYS 7 6.000 -4.350 -6.770
20 3HZ LYS 7 HZ1 LYS 7 7.620 -4.370 -6.620
21 H SER 8 H SER 8 7.990 3.270 -7.810
22 HG SER 8 HG SER 8 6.030 6.800 -5.690
23 H VAL 9 H VAL 9 5.310 2.610 -4.910
24 H ASP 10 H ASP 10 1.870 2.540 -7.350
25 OH TYR 11 OH TYR 11 -2.110 4.040 1.030
26 H TYR 11 H TYR 11 -0.390 2.090 -4.050
27 HH TYR 11 HH TYR 11 -1.230 4.220 1.480
28 H GLU 12 H GLU 12 -3.800 -0.990 -4.650
29 H VAL 13 H VAL 13 -6.670 0.580 -2.130
30 H PHE 14 H PHE 14 -7.520 -3.710 -1.070
31 H GLY 15 H GLY 15 -10.700 -2.900 1.030
32 NH1 ARG 16 NH2 ARG 16 -16.480 -10.050 3.630
33 NH2 ARG 16 NH1 ARG 16 -18.520 -9.010 3.510
34 H ARG 16 H ARG 16 -12.320 -5.730 2.800
35 HE ARG 16 HE ARG 16 -17.430 -7.560 1.800
36 1HH1 ARG 16 HH2 ARG 16 -15.550 -10.170 3.290
37 2HH1 ARG 16 HH2 ARG 16 -16.860 -10.660 4.320
38 1HH2 ARG 16 HH1 ARG 16 -19.140 -8.330 3.120
39 2HH2 ARG 16 HH1 ARG 16 -18.850 -9.650 4.190
40 H VAL 17 H VAL 17 -13.220 -5.800 5.750
41 H GLN 18 H GLN 18 -13.710 -2.290 8.330
42 1HE2 GLN 18 HE2 GLN 18 -10.840 1.250 11.660
43 2HE2 GLN 18 HE2 GLN 18 -10.340 0.640 10.100
44 H GLY 19 H GLY 19 -10.920 -2.840 6.700
45 H VAL 20 H VAL 20 -11.280 0.270 5.020
46 H CYS 21 H CYS 21 -8.220 1.930 6.250
47 HG CYS 21 HG CYS 21 -6.630 3.220 10.340
48 H PHE 22 H PHE 22 -6.440 1.640 8.560
49 NH1 ARG 23 NH1 ARG 23 -6.340 9.670 7.020
50 NH2 ARG 23 NH2 ARG 23 -8.030 8.160 6.730
51 H ARG 23 H ARG 23 -4.510 4.550 7.750
52 HE ARG 23 HE ARG 23 -6.230 6.490 6.470
53 1HH1 ARG 23 HH1 ARG 23 -5.360 9.890 7.040
54 2HH1 ARG 23 HH1 ARG 23 -7.030 10.380 7.160
55 1HH2 ARG 23 HH2 ARG 23 -8.350 7.270 6.410
56 2HH2 ARG 23 HH2 ARG 23 -8.690 8.890 6.900
57 H MET 24 H MET 24 -3.330 5.430 11.300
58 OH TYR 25 OH TYR 25 1.060 -4.550 11.360
59 H TYR 25 H TYR 25 -1.710 2.890 11.740
60 HH TYR 25 HH TYR 25 0.370 -5.140 10.930
61 H ALA 26 H ALA 26 -0.290 2.420 9.350
62 H GLU 27 H GLU 27 0.920 4.860 8.960
63 H ASP 28 H ASP 28 2.650 5.270 11.290
64 H GLU 29 H GLU 29 4.650 3.260 11.080
65 H ALA 30 H ALA 30 5.550 3.670 8.580
66 NH1 ARG 31 NH2 ARG 31 6.620 13.400 8.920
67 NH2 ARG 31 NH1 ARG 31 8.880 13.290 9.310
68 H ARG 31 H ARG 31 6.670 6.400 8.630
69 HE ARG 31 HE ARG 31 8.440 10.930 9.930
70 1HH1 ARG 31 HH2 ARG 31 5.740 12.940 8.820
71 2HH1 ARG 31 HH2 ARG 31 6.720 14.360 8.660
72 1HH2 ARG 31 HH1 ARG 31 9.700 12.780 9.530
73 2HH2 ARG 31 HH1 ARG 31 8.940 14.260 9.050
74 H LYS 32 H LYS 32 8.920 5.940 10.410
75 1HZ LYS 32 HZ3 LYS 32 7.650 3.440 15.660
76 2HZ LYS 32 HZ1 LYS 32 8.990 3.820 16.500
77 3HZ LYS 32 HZ2 LYS 32 7.610 4.630 16.790
78 H ILE 33 H ILE 33 10.370 4.190 8.690
79 H GLY 34 H GLY 34 11.110 5.880 6.820
80 H VAL 35 H VAL 35 9.770 6.670 4.590
81 H VAL 36 H VAL 36 8.030 6.220 0.800
82 H GLY 37 H GLY 37 4.220 7.990 0.130
83 CH2 TRP 38 CH2 TRP 38 -2.110 13.290 -4.660
84 H TRP 38 H TRP 38 2.070 9.760 -0.770
85 HE1 TRP 38 HE1 TRP 38 1.990 12.600 -4.160
86 H VAL 39 H VAL 39 -1.940 9.980 1.210
87 H LYS 40 H LYS 40 -4.210 8.250 -2.150
88 1HZ LYS 40 HZ2 LYS 40 -2.930 7.460 -6.240
89 2HZ LYS 40 HZ3 LYS 40 -2.840 8.050 -7.770
90 3HZ LYS 40 HZ1 LYS 40 -1.500 7.480 -7.020
91 H ASN 41 H ASN 41 -7.770 10.700 -2.340
92 1HD2 ASN 41 HD2 ASN 41 -10.130 12.170 1.010
93 2HD2 ASN 41 HD2 ASN 41 -11.140 12.250 -0.410
94 H THR 42 H THR 42 -10.790 7.210 -2.890
95 HG1 THR 42 HG1 THR 42 -11.000 4.320 -4.550
96 H SER 43 H SER 43 -13.530 7.680 -6.370
97 HG SER 43 HG SER 43 -15.680 6.820 -8.550
98 H LYS 44 H LYS 44 -13.880 5.160 -5.410
99 1HZ LYS 44 HZ2 LYS 44 -12.980 3.410 -10.990
100 2HZ LYS 44 HZ3 LYS 44 -11.620 3.990 -10.300
101 3HZ LYS 44 HZ1 LYS 44 -12.050 2.440 -10.080
102 H GLY 45 H GLY 45 -14.310 4.620 -2.880
103 H THR 46 H THR 46 -12.720 1.720 -3.350
104 HG1 THR 46 HG1 THR 46 -11.640 0.930 -6.210
105 H VAL 47 H VAL 47 -9.590 2.680 -1.240
106 H THR 48 H THR 48 -6.610 5.710 -3.030
107 HG1 THR 48 HG1 THR 48 -3.580 3.920 -5.910
108 H GLY 49 H GLY 49 -2.580 3.910 -3.240
109 H GLN 50 H GLN 50 0.270 7.100 -2.170
110 1HE2 GLN 50 HE2 GLN 50 2.020 10.000 -7.640
111 2HE2 GLN 50 HE2 GLN 50 2.060 8.260 -7.470
112 H VAL 51 H VAL 51 2.730 4.180 -3.050
113 H GLN 52 H GLN 52 5.920 6.180 -1.950
114 1HE2 GLN 52 HE2 GLN 52 10.340 9.880 -5.900
115 2HE2 GLN 52 HE2 GLN 52 10.410 8.210 -6.310
116 H GLY 53 H GLY 53 9.270 3.800 -3.300
117 H GLU 55 H GLU 55 12.720 -0.080 -1.260
118 H GLU 56 H GLU 56 13.880 -3.610 -2.500
119 H LYS 57 H LYS 57 16.250 -3.240 1.000
120 1HZ LYS 57 HZ1 LYS 57 17.500 -0.270 7.530
121 2HZ LYS 57 HZ2 LYS 57 17.500 -1.230 8.840
122 3HZ LYS 57 HZ3 LYS 57 18.590 -1.480 7.650
123 H VAL 58 H VAL 58 13.940 -1.760 1.530
124 H ASN 59 H ASN 59 12.230 -3.620 0.580
125 1HD2 ASN 59 HD2 ASN 59 11.940 -5.690 -3.930
126 2HD2 ASN 59 HD2 ASN 59 11.420 -6.900 -2.780
127 H SER 60 H SER 60 10.970 -5.200 2.370
128 HG SER 60 HG SER 60 12.190 -6.240 4.750
129 H MET 61 H MET 61 8.990 -3.070 3.410
130 H LYS 62 H LYS 62 7.010 -2.690 1.420
131 1HZ LYS 62 HZ3 LYS 62 8.070 -4.550 -4.740
132 2HZ LYS 62 HZ1 LYS 62 8.850 -3.780 -3.540
133 3HZ LYS 62 HZ2 LYS 62 9.090 -5.370 -3.740
134 H SER 63 H SER 63 6.430 -5.520 1.180
135 HG SER 63 HG SER 63 5.500 -9.570 2.100
136 CH2 TRP 64 CH2 TRP 64 2.670 -0.860 7.640
137 H TRP 64 H TRP 64 5.150 -5.930 3.770
138 HE1 TRP 64 HE1 TRP 64 1.660 -4.470 9.510
139 H LEU 65 H LEU 65 3.050 -4.190 3.660
140 H SER 66 H SER 66 1.080 -5.670 2.080
141 HG SER 66 HG SER 66 1.550 -8.570 1.400
142 H LYS 67 H LYS 67 -0.330 -7.680 3.560
143 1HZ LYS 67 HZ3 LYS 67 -3.790 -10.730 -0.120
144 2HZ LYS 67 HZ1 LYS 67 -2.800 -9.440 -0.090
145 3HZ LYS 67 HZ2 LYS 67 -2.230 -10.870 -0.640
146 H VAL 68 H VAL 68 -2.310 -6.020 5.580
147 H GLY 69 H GLY 69 -3.360 -7.280 8.010
148 H SER 70 H SER 70 -2.930 -6.430 11.780
149 HG SER 70 HG SER 70 -6.700 -6.120 14.660
150 H SER 72 H SER 72 -6.100 -1.660 14.130
151 HG SER 72 HG SER 72 -4.810 1.500 12.110
152 H SER 73 H SER 73 -6.540 -2.230 11.140
153 HG SER 73 HG SER 73 -3.880 -2.090 10.260
154 NH1 ARG 74 NH2 ARG 74 -11.190 -5.800 13.340
155 NH2 ARG 74 NH1 ARG 74 -10.170 -7.500 14.470
156 H ARG 74 H ARG 74 -5.700 -4.030 9.640
157 HE ARG 74 HE ARG 74 -9.190 -8.090 12.260
158 1HH1 ARG 74 HH2 ARG 74 -11.400 -5.330 12.480
159 2HH1 ARG 74 HH2 ARG 74 -11.630 -5.510 14.190
160 1HH2 ARG 74 HH1 ARG 74 -9.630 -8.340 14.490
161 2HH2 ARG 74 HH1 ARG 74 -10.610 -7.170 15.310
162 H ILE 75 H ILE 75 -7.680 -4.210 6.610
163 H ASP 76 H ASP 76 -8.740 -6.400 3.460
164 NH1 ARG 77 NH1 ARG 77 -8.270 -9.400 -4.680
165 NH2 ARG 77 NH2 ARG 77 -7.920 -11.640 -4.310
166 H ARG 77 H ARG 77 -7.400 -6.650 1.080
167 HE ARG 77 HE ARG 77 -5.770 -10.890 -3.280
168 1HH1 ARG 77 HH1 ARG 77 -7.940 -8.460 -4.670
169 2HH1 ARG 77 HH1 ARG 77 -9.180 -9.620 -5.040
170 1HH2 ARG 77 HH2 ARG 77 -7.320 -12.400 -4.070
171 2HH2 ARG 77 HH2 ARG 77 -8.830 -11.810 -4.680
172 H THR 78 H THR 78 -3.830 -5.830 0.560
173 HG1 THR 78 HG1 THR 78 -3.090 -3.360 2.100
174 H ASN 79 H ASN 79 -4.800 -3.900 -3.080
175 1HD2 ASN 79 HD2 ASN 79 -5.750 -4.060 -8.580
176 2HD2 ASN 79 HD2 ASN 79 -6.640 -3.730 -7.110
177 H PHE 80 H PHE 80 -1.040 -5.050 -4.630
178 H SER 81 H SER 81 -1.230 -1.980 -7.070
179 HG SER 81 HG SER 81 -3.440 -0.450 -8.440
180 H ASN 82 H ASN 82 -0.860 0.080 -8.920
181 1HD2 ASN 82 HD2 ASN 82 -2.730 2.290 -12.550
182 2HD2 ASN 82 HD2 ASN 82 -1.030 2.670 -12.710
183 H GLU 83 H GLU 83 2.310 -0.760 -10.790
184 H LYS 84 H LYS 84 4.800 2.190 -9.610
185 1HZ LYS 84 HZ2 LYS 84 0.920 6.510 -9.900
186 2HZ LYS 84 HZ3 LYS 84 1.170 7.350 -11.280
187 3HZ LYS 84 HZ1 LYS 84 -0.180 6.460 -11.100
188 H THR 85 H THR 85 7.960 1.590 -11.990
189 HG1 THR 85 HG1 THR 85 9.900 -0.260 -12.870
190 H ILE 86 H ILE 86 10.790 3.990 -9.620
191 H SER 87 H SER 87 13.350 6.940 -11.690
192 HG SER 87 HG SER 87 14.890 9.030 -11.840
193 H LYS 88 H LYS 88 14.970 6.470 -7.900
194 1HZ LYS 88 HZ2 LYS 88 20.310 9.710 -7.680
195 2HZ LYS 88 HZ3 LYS 88 20.910 9.310 -6.200
196 3HZ LYS 88 HZ1 LYS 88 21.590 8.710 -7.550
197 H LEU 89 H LEU 89 15.460 8.550 -4.260
198 H GLU 90 H GLU 90 11.460 9.990 -3.200
199 OH TYR 91 OH TYR 91 4.280 12.990 -4.100
200 H TYR 91 H TYR 91 9.770 10.370 -2.060
201 HH TYR 91 HH TYR 91 3.980 12.380 -4.840
202 H SER 92 H SER 92 9.940 11.390 1.910
203 HG SER 92 HG SER 92 11.150 12.810 4.410
204 H ASN 93 H ASN 93 7.660 10.390 3.240
205 1HD2 ASN 93 HD2 ASN 93 7.490 14.170 3.700
206 2HD2 ASN 93 HD2 ASN 93 8.640 12.910 4.130
207 H PHE 94 H PHE 94 5.620 8.210 5.360
208 H SER 95 H SER 95 1.890 10.380 4.050
209 HG SER 95 HG SER 95 0.900 14.390 6.630
210 H VAL 96 H VAL 96 -1.270 10.100 6.250
211 NH1 ARG 97 NH1 ARG 97 -9.400 6.170 4.710
212 NH2 ARG 97 NH2 ARG 97 -8.020 4.460 4.040
213 H ARG 97 H ARG 97 -5.370 11.490 4.850
214 HE ARG 97 HE ARG 97 -6.860 6.230 2.700
215 1HH1 ARG 97 HH1 ARG 97 -9.720 7.110 4.610
216 2HH1 ARG 97 HH1 ARG 97 -9.900 5.530 5.300
217 1HH2 ARG 97 HH2 ARG 97 -7.280 4.100 3.470
218 2HH2 ARG 97 HH2 ARG 97 -8.540 3.860 4.640
219 OH TYR 98 OH TYR 98 -1.510 15.590 3.540
220 H TYR 98 H TYR 98 -5.660 11.810 0.440
221 HH TYR 98 HH TYR 98 -0.950 14.780 3.730
Raw file had 221 H/Q atoms
Start of MODEL 4
1 1H SER 1 H2 SER 1 13.620 9.070 -15.430
2 2H SER 1 H3 SER 1 14.520 9.260 -14.070
3 3H SER 1 H1 SER 1 15.060 9.840 -15.480
4 HG SER 1 HG SER 1 16.340 7.450 -12.930
5 H THR 2 H THR 2 13.980 6.190 -16.690
6 HG1 THR 2 HG1 THR 2 12.910 4.190 -18.790
7 H ALA 3 H ALA 3 15.540 3.920 -16.340
8 NH1 ARG 4 NH2 ARG 4 19.850 4.760 -8.760
9 NH2 ARG 4 NH1 ARG 4 20.270 3.150 -10.350
10 H ARG 4 H ARG 4 14.760 2.250 -13.050
11 HE ARG 4 HE ARG 4 18.310 4.120 -11.530
12 1HH1 ARG 4 HH2 ARG 4 19.350 5.570 -8.470
13 2HH1 ARG 4 HH2 ARG 4 20.640 4.420 -8.250
14 1HH2 ARG 4 HH1 ARG 4 20.080 2.740 -11.250
15 2HH2 ARG 4 HH1 ARG 4 21.050 2.850 -9.810
16 H LEU 6 H LEU 6 13.640 2.380 -8.750
17 H LYS 7 H LYS 7 10.810 1.880 -5.870
18 1HZ LYS 7 HZ1 LYS 7 11.230 -2.220 -9.810
19 2HZ LYS 7 HZ2 LYS 7 12.140 -3.580 -9.790
20 3HZ LYS 7 HZ3 LYS 7 10.530 -3.650 -9.500
21 H SER 8 H SER 8 7.880 3.230 -8.560
22 HG SER 8 HG SER 8 4.610 6.260 -7.580
23 H VAL 9 H VAL 9 4.650 2.470 -6.000
24 H ASP 10 H ASP 10 0.930 1.380 -8.210
25 OH TYR 11 OH TYR 11 -1.390 4.860 -0.880
26 H TYR 11 H TYR 11 -1.510 1.950 -4.620
27 HH TYR 11 HH TYR 11 -2.320 5.130 -0.620
28 H GLU 12 H GLU 12 -4.200 -1.630 -4.450
29 H VAL 13 H VAL 13 -6.310 0.030 -1.790
30 H PHE 14 H PHE 14 -8.190 -3.620 -0.540
31 H GLY 15 H GLY 15 -10.390 -1.710 1.580
32 NH1 ARG 16 NH2 ARG 16 -14.840 -6.610 1.470
33 NH2 ARG 16 NH1 ARG 16 -12.550 -6.640 1.480
34 H ARG 16 H ARG 16 -13.050 -3.570 2.290
35 HE ARG 16 HE ARG 16 -12.750 -4.880 -0.270
36 1HH1 ARG 16 HH2 ARG 16 -15.700 -6.270 1.100
37 2HH1 ARG 16 HH2 ARG 16 -14.830 -7.370 2.120
38 1HH2 ARG 16 HH1 ARG 16 -11.660 -6.280 1.210
39 2HH2 ARG 16 HH1 ARG 16 -12.590 -7.430 2.090
40 H VAL 17 H VAL 17 -14.350 -4.190 4.660
41 H GLN 18 H GLN 18 -15.110 -1.210 6.280
42 1HE2 GLN 18 HE2 GLN 18 -17.970 2.110 10.830
43 2HE2 GLN 18 HE2 GLN 18 -17.710 1.850 9.120
44 H GLY 19 H GLY 19 -12.870 -1.010 10.160
45 H VAL 20 H VAL 20 -10.110 -0.210 7.790
46 H CYS 21 H CYS 21 -7.210 1.770 10.200
47 HG CYS 21 HG CYS 21 -6.990 5.510 13.280
48 H PHE 22 H PHE 22 -6.240 3.840 7.590
49 NH1 ARG 23 NH1 ARG 23 -4.990 12.730 7.790
50 NH2 ARG 23 NH2 ARG 23 -3.570 12.950 9.580
51 H ARG 23 H ARG 23 -4.660 6.170 7.930
52 HE ARG 23 HE ARG 23 -3.050 10.560 9.190
53 1HH1 ARG 23 HH1 ARG 23 -5.490 12.160 7.140
54 2HH1 ARG 23 HH1 ARG 23 -5.180 13.710 7.850
55 1HH2 ARG 23 HH2 ARG 23 -2.990 12.550 10.290
56 2HH2 ARG 23 HH2 ARG 23 -3.800 13.930 9.600
57 H MET 24 H MET 24 -2.900 5.760 10.770
58 OH TYR 25 OH TYR 25 -2.230 -1.800 11.530
59 H TYR 25 H TYR 25 -1.000 4.120 9.650
60 HH TYR 25 HH TYR 25 -2.330 -2.590 10.920
61 H ALA 26 H ALA 26 -0.010 4.870 7.400
62 H GLU 27 H GLU 27 1.200 7.210 8.600
63 H ASP 28 H ASP 28 2.960 6.540 11.090
64 H GLU 29 H GLU 29 3.950 4.050 10.340
65 H ALA 30 H ALA 30 4.780 4.120 7.920
66 NH1 ARG 31 NH2 ARG 31 8.240 7.190 12.970
67 NH2 ARG 31 NH1 ARG 31 10.100 5.860 13.150
68 H ARG 31 H ARG 31 6.760 6.160 7.930
69 HE ARG 31 HE ARG 31 11.070 7.370 11.420
70 1HH1 ARG 31 HH2 ARG 31 7.770 7.960 12.560
71 2HH1 ARG 31 HH2 ARG 31 7.800 6.630 13.680
72 1HH2 ARG 31 HH1 ARG 31 11.040 5.620 12.890
73 2HH2 ARG 31 HH1 ARG 31 9.620 5.330 13.850
74 H LYS 32 H LYS 32 8.730 4.830 9.720
75 1HZ LYS 32 HZ3 LYS 32 8.850 0.460 15.190
76 2HZ LYS 32 HZ1 LYS 32 10.080 0.750 16.220
77 3HZ LYS 32 HZ2 LYS 32 9.110 1.970 15.770
78 H ILE 33 H ILE 33 9.250 2.470 7.930
79 H GLY 34 H GLY 34 10.910 3.890 6.250
80 H VAL 35 H VAL 35 9.500 4.490 4.430
81 H VAL 36 H VAL 36 8.010 5.570 0.400
82 H GLY 37 H GLY 37 5.660 9.330 0.250
83 CH2 TRP 38 CH2 TRP 38 -3.100 9.850 -5.320
84 H TRP 38 H TRP 38 1.910 8.310 -1.650
85 HE1 TRP 38 HE1 TRP 38 1.050 10.140 -5.870
86 H VAL 39 H VAL 39 -1.360 9.460 0.900
87 H LYS 40 H LYS 40 -4.670 7.060 -0.950
88 1HZ LYS 40 HZ3 LYS 40 -9.210 11.060 -5.960
89 2HZ LYS 40 HZ1 LYS 40 -10.180 9.870 -5.410
90 3HZ LYS 40 HZ2 LYS 40 -10.670 11.430 -5.300
91 H ASN 41 H ASN 41 -8.220 9.010 0.600
92 1HD2 ASN 41 HD2 ASN 41 -10.840 10.860 2.460
93 2HD2 ASN 41 HD2 ASN 41 -11.710 9.630 1.570
94 H THR 42 H THR 42 -10.330 6.080 -1.650
95 HG1 THR 42 HG1 THR 42 -10.700 7.170 -6.110
96 H SER 43 H SER 43 -13.030 8.320 -4.500
97 HG SER 43 HG SER 43 -14.760 8.650 -7.170
98 H LYS 44 H LYS 44 -13.930 5.860 -5.330
99 1HZ LYS 44 HZ1 LYS 44 -16.460 5.820 -9.010
100 2HZ LYS 44 HZ2 LYS 44 -14.830 5.990 -9.110
101 3HZ LYS 44 HZ3 LYS 44 -15.740 5.870 -10.480
102 H GLY 45 H GLY 45 -14.530 4.850 -2.550
103 H THR 46 H THR 46 -12.900 2.210 -2.790
104 HG1 THR 46 HG1 THR 46 -11.870 0.330 -4.270
105 H VAL 47 H VAL 47 -9.220 1.390 -0.210
106 H THR 48 H THR 48 -7.090 4.790 -1.580
107 HG1 THR 48 HG1 THR 48 -5.300 3.420 -5.530
108 H GLY 49 H GLY 49 -4.120 5.070 -4.560
109 H GLN 50 H GLN 50 -0.290 6.940 -3.360
110 1HE2 GLN 50 HE2 GLN 50 1.250 8.220 -9.700
111 2HE2 GLN 50 HE2 GLN 50 -0.190 7.820 -8.780
112 H VAL 51 H VAL 51 2.550 3.920 -4.180
113 H GLN 52 H GLN 52 5.920 5.750 -2.410
114 1HE2 GLN 52 HE2 GLN 52 11.190 5.740 -7.180
115 2HE2 GLN 52 HE2 GLN 52 10.530 7.320 -6.970
116 H GLY 53 H GLY 53 9.170 3.280 -3.880
117 H GLU 55 H GLU 55 13.720 -0.620 -4.780
118 H GLU 56 H GLU 56 14.650 -2.580 -1.920
119 H LYS 57 H LYS 57 12.940 -1.300 -0.150
120 1HZ LYS 57 HZ3 LYS 57 14.400 1.590 3.890
121 2HZ LYS 57 HZ1 LYS 57 15.650 0.600 3.600
122 3HZ LYS 57 HZ2 LYS 57 15.900 2.210 3.760
123 H VAL 58 H VAL 58 10.660 -1.450 -1.300
124 H ASN 59 H ASN 59 10.200 -4.230 -1.200
125 1HD2 ASN 59 HD2 ASN 59 10.790 -6.730 -3.920
126 2HD2 ASN 59 HD2 ASN 59 9.370 -7.090 -2.970
127 H SER 60 H SER 60 9.450 -4.820 1.710
128 HG SER 60 HG SER 60 9.910 -3.100 4.260
129 H MET 61 H MET 61 7.430 -3.140 2.130
130 H LYS 62 H LYS 62 5.450 -4.140 -0.160
131 1HZ LYS 62 HZ2 LYS 62 7.850 -7.360 -4.750
132 2HZ LYS 62 HZ3 LYS 62 8.260 -8.870 -4.240
133 3HZ LYS 62 HZ1 LYS 62 6.800 -8.590 -4.890
134 H SER 63 H SER 63 4.670 -6.680 1.150
135 HG SER 63 HG SER 63 5.850 -8.770 1.630
136 CH2 TRP 64 CH2 TRP 64 3.460 1.170 5.770
137 H TRP 64 H TRP 64 3.740 -5.820 3.630
138 HE1 TRP 64 HE1 TRP 64 1.210 -1.380 8.230
139 H LEU 65 H LEU 65 1.460 -4.080 2.650
140 H SER 66 H SER 66 -0.690 -6.130 2.670
141 HG SER 66 HG SER 66 -0.200 -8.330 1.640
142 H LYS 67 H LYS 67 -2.630 -9.020 2.450
143 1HZ LYS 67 HZ2 LYS 67 -7.120 -14.520 1.280
144 2HZ LYS 67 HZ3 LYS 67 -6.610 -13.420 0.180
145 3HZ LYS 67 HZ1 LYS 67 -5.730 -14.760 0.460
146 H VAL 68 H VAL 68 -3.930 -7.800 5.680
147 H GLY 69 H GLY 69 -4.160 -6.690 7.470
148 H SER 70 H SER 70 -2.330 -7.450 10.610
149 HG SER 70 HG SER 70 -0.050 -9.070 11.540
150 H SER 72 H SER 72 -2.260 -2.470 13.200
151 HG SER 72 HG SER 72 -2.510 0.570 14.790
152 H SER 73 H SER 73 -3.830 -1.540 12.190
153 HG SER 73 HG SER 73 -5.970 0.700 12.410
154 NH1 ARG 74 NH1 ARG 74 -6.450 -9.200 7.360
155 NH2 ARG 74 NH2 ARG 74 -6.350 -10.520 9.220
156 H ARG 74 H ARG 74 -7.840 -2.720 10.710
157 HE ARG 74 HE ARG 74 -7.890 -8.850 10.230
158 1HH1 ARG 74 HH1 ARG 74 -6.720 -8.350 6.900
159 2HH1 ARG 74 HH1 ARG 74 -5.900 -9.880 6.880
160 1HH2 ARG 74 HH2 ARG 74 -6.520 -10.680 10.190
161 2HH2 ARG 74 HH2 ARG 74 -5.800 -11.160 8.690
162 H ILE 75 H ILE 75 -5.200 -4.010 7.950
163 H ASP 76 H ASP 76 -7.940 -4.820 5.130
164 NH1 ARG 77 NH1 ARG 77 -5.070 -9.390 -3.720
165 NH2 ARG 77 NH2 ARG 77 -6.880 -8.540 -4.820
166 H ARG 77 H ARG 77 -7.800 -5.840 2.190
167 HE ARG 77 HE ARG 77 -8.030 -8.730 -2.590
168 1HH1 ARG 77 HH1 ARG 77 -4.650 -9.770 -2.900
169 2HH1 ARG 77 HH1 ARG 77 -4.530 -9.330 -4.570
170 1HH2 ARG 77 HH2 ARG 77 -7.850 -8.290 -4.850
171 2HH2 ARG 77 HH2 ARG 77 -6.320 -8.500 -5.640
172 H THR 78 H THR 78 -5.250 -7.330 -0.910
173 HG1 THR 78 HG1 THR 78 -4.160 -3.810 0.800
174 H ASN 79 H ASN 79 -5.580 -4.560 -4.040
175 1HD2 ASN 79 HD2 ASN 79 -4.100 -7.280 -9.000
176 2HD2 ASN 79 HD2 ASN 79 -4.780 -7.730 -7.450
177 H PHE 80 H PHE 80 -1.900 -5.650 -6.420
178 H SER 81 H SER 81 -1.360 -1.770 -7.870
179 HG SER 81 HG SER 81 -3.290 -3.640 -10.540
180 H ASN 82 H ASN 82 -0.330 -1.310 -12.170
181 1HD2 ASN 82 HD2 ASN 82 -3.510 1.210 -11.940
182 2HD2 ASN 82 HD2 ASN 82 -2.450 1.320 -10.560
183 H GLU 83 H GLU 83 2.990 -0.540 -12.570
184 H LYS 84 H LYS 84 5.190 2.610 -10.830
185 1HZ LYS 84 HZ3 LYS 84 2.460 3.930 -13.990
186 2HZ LYS 84 HZ1 LYS 84 1.800 4.310 -15.430
187 3HZ LYS 84 HZ2 LYS 84 3.150 3.390 -15.380
188 H THR 85 H THR 85 8.510 1.850 -12.810
189 HG1 THR 85 HG1 THR 85 11.070 1.460 -13.950
190 H ILE 86 H ILE 86 10.490 4.370 -10.150
191 H SER 87 H SER 87 12.990 7.520 -12.150
192 HG SER 87 HG SER 87 16.440 10.030 -11.440
193 H LYS 88 H LYS 88 14.950 8.310 -8.170
194 1HZ LYS 88 HZ1 LYS 88 16.520 12.210 -4.940
195 2HZ LYS 88 HZ2 LYS 88 17.530 13.410 -5.400
196 3HZ LYS 88 HZ3 LYS 88 16.470 13.640 -4.160
197 H LEU 89 H LEU 89 13.460 9.700 -4.400
198 H GLU 90 H GLU 90 9.300 9.760 -5.220
199 OH TYR 91 OH TYR 91 1.440 15.060 -2.030
200 H TYR 91 H TYR 91 9.100 12.260 -2.390
201 HH TYR 91 HH TYR 91 0.950 15.270 -1.190
202 H SER 92 H SER 92 7.390 14.380 0.700
203 HG SER 92 HG SER 92 6.660 15.260 3.150
204 H ASN 93 H ASN 93 8.920 11.100 2.420
205 1HD2 ASN 93 HD2 ASN 93 10.390 8.460 5.610
206 2HD2 ASN 93 HD2 ASN 93 9.020 7.920 4.670
207 H PHE 94 H PHE 94 6.070 7.950 3.700
208 H SER 95 H SER 95 3.440 10.580 2.330
209 HG SER 95 HG SER 95 4.750 12.770 4.560
210 H VAL 96 H VAL 96 0.610 10.400 5.440
211 NH1 ARG 97 NH1 ARG 97 -7.840 4.680 5.430
212 NH2 ARG 97 NH2 ARG 97 -8.630 6.320 6.840
213 H ARG 97 H ARG 97 -3.760 10.780 5.370
214 HE ARG 97 HE ARG 97 -7.810 7.890 5.040
215 1HH1 ARG 97 HH1 ARG 97 -7.390 4.410 4.580
216 2HH1 ARG 97 HH1 ARG 97 -8.250 4.010 6.040
217 1HH2 ARG 97 HH2 ARG 97 -8.750 7.280 7.090
218 2HH2 ARG 97 HH2 ARG 97 -9.000 5.590 7.410
219 OH TYR 98 OH TYR 98 -0.520 15.010 0.530
220 H TYR 98 H TYR 98 -5.060 11.000 1.430
221 HH TYR 98 HH TYR 98 0.060 14.270 0.850
No H/Q in entry = 221